SCHEMBL5569486

SCHEMBL5569486

COC(OC)[C@H](C(C)C)N(C)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
SLC6A2 P23975 1/20 0.51
HTR2A P28223 1/20 0.51
SLC6A4 P31645 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRK1 P41145 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KCNH2 Q12809 1/20 0.51
TSHR P16473 4/20 0.44
ALDH1A1 P00352 1/20 0.44
AOC3 Q16853 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
HPGD P15428 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SIGMAR1 Q99720 2/20 0.38
KDM4E B2RXH2 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5569488 1.00 ADRA2B (0.51) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL18522813 0.85 ADRA2B (0.47) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL5654614 0.85 ADRA2B (0.47) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL5656639 0.85 ADRA2B (0.47) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL44989 0.84 SIGMAR1 (0.41) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL5564359 0.82 ADRA2B (0.55) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL615515 0.78 ADRA2B (0.58) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL11270890 0.76 ADRA2B (0.55) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL15070152 0.74 CARM1 (0.42) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL530326 0.73 ADRA2B (0.67) ADRA2BADRA2CSLC6A2HTR2ASLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312343-B2 N-benzyl-protected dialkyl acetal derivatives undergo desired aldol reaction with high diastereoselectivity using a Mukaiyama aldol reaction; intermediates in the synthesis of other products, including, e.g. Dolastatin 10 HOFFMANN-LA ROCHE INC. (US) 2007-12-25 US disclosed
US-7312343-B2 N-benzyl-protected dialkyl acetal derivatives undergo desired aldol reaction with high diastereoselectivity using a Mukaiyama aldol reaction; intermediates in the synthesis of other products, including, e.g. Dolastatin 10 HOFFMANN-LA ROCHE INC. (US) 2007-12-25 US disclosed
US-7312343-B2 N-benzyl-protected dialkyl acetal derivatives undergo desired aldol reaction with high diastereoselectivity using a Mukaiyama aldol reaction; intermediates in the synthesis of other products, including, e.g. Dolastatin 10 HOFFMANN-LA ROCHE INC. (US) 2007-12-25 US disclosed
EP-1756038-A1 SYNTHESIS OF AMINO-ALKOXY-HEPTANOIC ALKYL ESTER F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
WO-2005118525-A1 SYNTHESIS OF AMINO-ALKOXY-HEPTANOIC ALKYL ESTER F.HOFFMANN-LA ROCHE AG (CH) 2005-12-15 WO disclosed
US-20050272665-A1 Synthesis of alpha-amino-beta-alkoxy-carboxylic acid esters F. HOFFMANN-LA ROCHE AG (CH) 2005-12-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050272665-A1 Synthesis of alpha-amino-beta-alkoxy-carboxylic acid esters ALDH7A1, BCAT1, BCAT2 ADRA2B 420/4885ADRA2C 515/4885SLC6A2 1670/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.